@MOLECULE (r)-(+)-warfarin 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8619 0.5261 -1.7762 O.2 1 UNL1 -0.3709 2 O -0.2456 -0.3352 1.9284 O.3 1 UNL1 -0.4517 3 O 0.0428 0.1618 -2.7516 O.2 1 UNL1 -0.3901 4 O 0.6389 -3.2906 -1.1366 O.2 1 UNL1 -0.4507 5 C 1.4350 -0.7059 -0.3880 C.3 1 UNL1 -0.0471 6 C 0.0161 -0.2167 -0.3804 C.ar 1 UNL1 -0.3101 7 C 1.6613 -1.9233 0.5239 C.3 1 UNL1 -0.3913 8 C 2.3420 0.4453 -0.0248 C.ar 1 UNL1 -0.0052 9 C -0.7678 -0.0461 0.7175 C.ar 1 UNL1 0.3677 10 C -2.1352 0.4121 0.6116 C.ar 1 UNL1 -0.2744 11 C -0.5051 0.1323 -1.6876 C.ar 1 UNL1 0.6069 12 C 0.8914 -3.1233 0.0288 C.2 1 UNL1 0.5059 13 C 2.9814 1.1481 -1.0490 C.ar 1 UNL1 -0.1587 14 C 2.5285 0.8373 1.3012 C.ar 1 UNL1 -0.1630 15 C -2.6200 0.6626 -0.6796 C.ar 1 UNL1 0.3237 16 C -3.0043 0.6088 1.6980 C.ar 1 UNL1 -0.0614 17 C 3.8072 2.2281 -0.7475 C.ar 1 UNL1 -0.1417 18 C 3.3564 1.9166 1.6010 C.ar 1 UNL1 -0.1522 19 C -3.9433 1.0865 -0.9102 C.ar 1 UNL1 -0.2367 20 C 0.4660 -4.1144 1.0747 C.3 1 UNL1 -0.5553 21 C 3.9984 2.6126 0.5783 C.ar 1 UNL1 -0.1595 22 C -4.3035 1.0304 1.4850 C.ar 1 UNL1 -0.2156 23 C -4.7724 1.2664 0.1785 C.ar 1 UNL1 -0.0521 24 H 1.6848 -1.0517 -1.4401 H 1 UNL1 0.1904 25 H 1.4056 -1.6926 1.5756 H 1 UNL1 0.1756 26 H 2.7441 -2.1730 0.5356 H 1 UNL1 0.1731 27 H 2.8245 0.8585 -2.0891 H 1 UNL1 0.1661 28 H 2.0203 0.3087 2.1057 H 1 UNL1 0.1555 29 H -2.6554 0.4300 2.7150 H 1 UNL1 0.1379 30 H 4.3015 2.7736 -1.5492 H 1 UNL1 0.1491 31 H 3.4992 2.2186 2.6355 H 1 UNL1 0.1421 32 H -4.2778 1.2629 -1.9318 H 1 UNL1 0.1862 33 H 1.2735 -4.3506 1.7761 H 1 UNL1 0.1655 34 H 0.1323 -5.0573 0.6168 H 1 UNL1 0.1776 35 H -0.3794 -3.7232 1.6569 H 1 UNL1 0.1735 36 H 4.6447 3.4546 0.8165 H 1 UNL1 0.1461 37 H -4.9765 1.1837 2.3258 H 1 UNL1 0.1581 38 H -0.8716 -0.1397 2.6736 H 1 UNL1 0.3317 39 H -5.8024 1.5957 0.0331 H 1 UNL1 0.1551 @BOND 1 3 11 2 2 27 13 1 3 32 19 1 4 1 11 ar 5 1 15 ar 6 11 6 ar 7 30 17 1 8 24 5 1 9 4 12 2 10 13 17 ar 11 13 8 ar 12 19 15 ar 13 19 23 ar 14 17 21 ar 15 15 10 ar 16 5 6 1 17 5 8 1 18 5 7 1 19 6 9 ar 20 8 14 ar 21 12 7 1 22 12 20 1 23 39 23 1 24 23 22 ar 25 7 26 1 26 7 25 1 27 21 36 1 28 21 18 ar 29 10 9 ar 30 10 16 ar 31 34 20 1 32 9 2 1 33 20 35 1 34 20 33 1 35 14 18 ar 36 14 28 1 37 22 16 ar 38 22 37 1 39 18 31 1 40 16 29 1 41 2 38 1